3NVL

Crystal Structure of Phosphoglycerate Mutase from Trypanosoma brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.4586
Spacegroup name	P 1 21 1
Unit cell lengths	62.670, 85.660, 109.110
Unit cell angles	90.00, 102.20, 90.00

Refinement procedure

Resolution	35.549 - 2.300
R-factor	0.1684
Rwork	0.166
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3igy
RMSD bond length	0.004
RMSD bond angle	0.801
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	106.646	35.549	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.041	0.664
Total number of observations		6834	26440
Number of reflections	46642
<I/σ(I)>	9.2	15.3	1.1
Completeness [%]	92.7	98.8	82.8
Redundancy	4.2	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	291	0.05M ammonium sulfate, 0.1 M Bis-Tris, and 25% (w/v) PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K