5UMF

Crystal Structure of a Ribulose-phosphate 3-epimerase from Neisseria gonorrhoeae with bound phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	122.730, 70.900, 83.500
Unit cell angles	90.00, 109.31, 90.00

Refinement procedure

Resolution	40.684 - 1.400
R-factor	0.1487
Rwork	0.148
R-free	0.16480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3inp
RMSD bond length	0.005
RMSD bond angle	0.844
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((dev_2621: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.684	40.684	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.070	0.054	0.538
Rmeas	0.082	0.064	0.631
Total number of observations	497286
Number of reflections	132656	1546	9804
<I/σ(I)>	11.09	22.66	2.34
Completeness [%]	99.8	98.3	99.9
Redundancy	3.749	3.55	3.698
CC(1/2)	0.996	0.993	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	NegoA.18161.a.B1.PS38017 at 26.22 mg/ml mixed 1:1 with an equal volume Morpheus (b3): 10% (w/v) PEG-4000, 20% (v/v) glycerol, 0.1 M MES/imidazole, pH=6.5, 0.03 M each sodium fluoride, sodium bromide, sodium iodide