4X84

Crystal structure of Ribose-5-phosphate isomerase A from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-29
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	41.070, 142.790, 161.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.649 - 1.250
R-factor	0.1385
Rwork	0.138
R-free	0.15740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3enq
RMSD bond length	0.005
RMSD bond angle	1.108
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.280
High resolution limit [Å]	1.250	5.590	1.250
Rmerge	0.068	0.035	0.495
Rmeas	0.076	0.040	0.555
Total number of observations	1258596
Number of reflections	261250	3096	19231
<I/σ(I)>	14	36.71	3.22
Completeness [%]	99.6	94.5	99.9
Redundancy	4.8		4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Moledular Dimensions, Morpheus screen G4: 20mM each Na-Formate; NH4-Acetate; Na3-Citrate; NaKTartrate (racemic); Na-Oxamate; 12.5% each MPD (racemic); PEG 1K; PEG 3350; 100mM Imidazole; MES (acid) pH 6.5; PsaeA.00944.a.B1.PS02170 at 29.9mg/ml; direct cryo; tray 258189, puck frv7-1