3OC6

Crystal structure of 6-phosphogluconolactonase from mycobacterium smegmatis, apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	I 41 2 2
Unit cell lengths	176.440, 176.440, 38.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.110 - 2.100
R-factor	0.153
Rwork	0.152
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ico
RMSD bond length	0.016
RMSD bond angle	1.505
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.110	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.101	0.539
Number of reflections	18113
<I/σ(I)>	23.99	5.7
Completeness [%]	100.0	100
Redundancy	14.3	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	289	JCSG CONDITION C1: 0.1 M PHOSPHATE-CITRATE PH 4.2, 20% PEG 8000, 200 MM NACL, PROTEIN (MYSMA.01244.A.A1.PW28797) AT 29 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K