2XM1

BtGH84 in complex with N-acetyl gluconolactam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-19
Detector	ADSC CCD
Spacegroup name	P 1
Unit cell lengths	51.398, 94.081, 99.462
Unit cell angles	104.70, 94.02, 102.92

Refinement procedure

Resolution	47.840 - 2.000
R-factor	0.18164
Rwork	0.180
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cho
RMSD bond length	0.013
RMSD bond angle	1.275
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.630	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.040	0.150
Number of reflections	114572
<I/σ(I)>	15.3	4.9
Completeness [%]	97.4	96.5
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.3M AMMONIUM ACETATE, 0.1M MES PH6.0, 10% GLYCEROL, 15% PEG3350(W/V)